4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine

C19H20N4O2 — CID 22546336

IUPAC4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
SMILESCOc1ccc(Oc2ncnc(Nc3ccc(C)c(C)c3)c2N)cc1
InChIInChI=1S/C19H20N4O2/c1-12-4-5-14(10-13(12)2)23-18-17(20)19(22-11-21-18)25-16-8-6-15(24-3)7-9-16/h4-11H,20H2,1-3H3,(H,21,22,23)
InChIKeyYVMHZLMUCGQTSP-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.22
Rot. Bonds5

About 4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine

4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine (PubChem CID 22546336) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
PubChem CID22546336
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
SMILESCOc1ccc(Oc2ncnc(Nc3ccc(C)c(C)c3)c2N)cc1
InChIInChI=1S/C19H20N4O2/c1-12-4-5-14(10-13(12)2)23-18-17(20)19(22-11-21-18)25-16-8-6-15(24-3)7-9-16/h4-11H,20H2,1-3H3,(H,21,22,23)
InChIKeyYVMHZLMUCGQTSP-UHFFFAOYSA-N
XLogP4.22
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148333
6-(3,4-dimethylphenoxy)-4-N-(4-iodophenyl)pyrimidine-4,5-diamine
CID 19148973
6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19149185
4-N-(3,4-dimethylphenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22546325
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 19146563
4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 22546283
4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546284
6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144708
dimethyl 5-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547756
4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546746
1-[3-[[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547551
4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 22540861

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine (CID 22546336) is 4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine is COc1ccc(Oc2ncnc(Nc3ccc(C)c(C)c3)c2N)cc1.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine?
The InChIKey is YVMHZLMUCGQTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-4-5-14(10-13(12)2)23-18-17(20)19(22-11-21-18)25-16-8-6-15(24-3)7-9-16/h4-11H,20H2,1-3H3,(H,21,22,23).
What are the key properties of 4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine?
4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine has a molecular weight of 336.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 22546336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).